6,8-dibromo-3-{4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,8-dibromo-3-{4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
6,8-dibromo-3-{4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G868-0080 |
| Compound Name: | 6,8-dibromo-3-{4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 551.24 |
| Molecular Formula: | C21 H21 Br2 N5 O3 |
| Smiles: | CCNc1cc(C)nc(n1)N1CCN(CC1)C(C1=Cc2cc(cc(c2OC1=O)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2569 |
| logD: | 4.1885 |
| logSw: | -4.1571 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.757 |
| InChI Key: | SHISMGLZXVAFND-UHFFFAOYSA-N |